2-(2-phenylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazole-4-carboxamide

C23H18N6O — CID 135967100

IUPAC2-(2-phenylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazole-4-carboxamide
SMILESO=C(NCc1ccccn1)c1cccc2[nH]c(-c3ccnn3-c3ccccc3)nc12
InChIInChI=1S/C23H18N6O/c30-23(25-15-16-7-4-5-13-24-16)18-10-6-11-19-21(18)28-22(27-19)20-12-14-26-29(20)17-8-2-1-3-9-17/h1-14H,15H2,(H,25,30)(H,27,28)
InChIKeyYMJQZSZLEJCFTN-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.74
Rot. Bonds5

About 2-(2-phenylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazole-4-carboxamide

2-(2-phenylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazole-4-carboxamide (PubChem CID 135967100) has the molecular formula C23H18N6O and a molecular weight of 394.44 g/mol. Its IUPAC name is 2-(2-phenylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-phenylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazole-4-carboxamide
PubChem CID135967100
Molecular FormulaC23H18N6O
Molecular Weight394.44 g/mol
Exact Mass394.15
IUPAC Name2-(2-phenylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazole-4-carboxamide
SMILESO=C(NCc1ccccn1)c1cccc2[nH]c(-c3ccnn3-c3ccccc3)nc12
InChIInChI=1S/C23H18N6O/c30-23(25-15-16-7-4-5-13-24-16)18-10-6-11-19-21(18)28-22(27-19)20-12-14-26-29(20)17-8-2-1-3-9-17/h1-14H,15H2,(H,25,30)(H,27,28)
InChIKeyYMJQZSZLEJCFTN-UHFFFAOYSA-N
XLogP3.74
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2,3-dichloro-N-(pyridin-2-ylmethyl)benzamide
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4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide
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2-phenyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110766091
4-chloro-3-methyl-1-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626683
1-(4-chlorophenyl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42818142
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CID 134110201

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(2-phenylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazole-4-carboxamide (CID 135967100) is 2-(2-phenylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(2-phenylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(2-phenylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazole-4-carboxamide is O=C(NCc1ccccn1)c1cccc2[nH]c(-c3ccnn3-c3ccccc3)nc12.
What is the InChIKey of 2-(2-phenylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is YMJQZSZLEJCFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O/c30-23(25-15-16-7-4-5-13-24-16)18-10-6-11-19-21(18)28-22(27-19)20-12-14-26-29(20)17-8-2-1-3-9-17/h1-14H,15H2,(H,25,30)(H,27,28).
What are the key properties of 2-(2-phenylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazole-4-carboxamide?
2-(2-phenylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 135967100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).